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Home > Aldehydes > 295787-41-6
295787-41-6 | Benzaldehyde, 5-bromo-2-[[7-bromo-2-(phenylmethyl)-2-azabicyclo[2.2.1]hept-6-yl]oxy]-
CAS No: 295787-41-6 Catalog No: AG002YTB MDL No:
Product Description
Catalog Number:
AG002YTB
Chemical Name:
Benzaldehyde, 5-bromo-2-[[7-bromo-2-(phenylmethyl)-2-azabicyclo[2.2.1]hept-6-yl]oxy]-
CAS Number:
295787-41-6
Molecular Formula:
C20H19Br2NO2
Molecular Weight:
465.1784
IUPAC Name:
2-[(2-benzyl-7-bromo-2-azabicyclo[2.2.1]heptan-6-yl)oxy]-5-bromobenzaldehyde
InChI:
InChI=1S/C20H19Br2NO2/c21-16-6-7-17(15(8-16)12-24)25-18-9-14-11-23(20(18)19(14)22)10-13-4-2-1-3-5-13/h1-8,12,14,18-20H,9-11H2
InChI Key:
BLLFLEXWBCJYNS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OC1CC2C(C1N(C2)Cc1ccccc1)Br
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.976g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.185g/mol
Monoisotopic Mass:
462.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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